%chk=000003103.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003103

0 1
 O   0.4779000      0.3990000     -0.6465000    
 N    4.601000      0.7263000     -4.1000000E-03
 C    1.750200      9.0099998E-02 -9.2000000E-02
 C    2.287400       1.319400      0.6340000    
 C    2.712900     -0.3328000      -1.197900    
 C    3.721700       1.099600       1.113300    
 C    4.134100     -0.5023000     -0.6623000    
 C  -0.5713000      0.1259000      0.2721000    
 C    5.978700      0.5660000      0.4605000    
 C   -1.694500       1.126000      9.1799997E-02
 C   -1.041300      -1.312800      0.1776000    
 C   -2.473000       1.469300       1.182700    
 C   -1.545800      -1.930900       1.306800    
 C   -1.915800       1.673300      -1.159300    
 C  -0.9544000      -1.970600      -1.035400    
 C   -3.507200       2.390400       1.016900    
 C   -1.978400      -3.254100       1.220000    
 C   -2.950000       2.594600      -1.325000    
 C   -1.387100      -3.293800      -1.122100    
 C   -3.745800       2.953100     -0.2368000    
 C   -1.899200      -3.935500      5.7000001E-03
 H    1.677300     -0.7499000      0.6134000    
 H    1.651600       1.573700       1.489600    
 H    2.244500       2.191000     -3.3300001E-02
 H    2.700300      0.4115000      -2.005400    
 H    2.366700      -1.268800      -1.652300    
 H    4.076500       2.032300       1.568400    
 H    3.734700      0.3293000       1.895800    
 H    4.167800      -1.354000      2.9999999E-02
 H    4.790800     -0.7432000      -1.507000    
 H  -0.1869000      0.2871000       1.290000    
 H    6.345400       1.497400      0.9059000    
 H    6.643900      0.3376000     -0.3796000    
 H    6.074800     -0.2335000       1.204100    
 H   -2.295300       1.043200       2.165400    
 H   -1.608000      -1.413600       2.259400    
 H   -1.317500       1.401200      -2.023600    
 H  -0.5688000      -1.487100      -1.927900    
 H   -4.126200       2.670500       1.864300    
 H   -2.376000      -3.754200       2.098300    
 H   -3.137800       3.030900      -2.301700    
 H   -1.327600      -3.823900      -2.068200    
 H   -4.551200       3.670000     -0.3659000    
 H   -2.236300      -4.965700     -6.1999999E-02


%chk=000003103-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003103

0 1
O 0.437866 0.685118 -0.547804
N 4.648282 0.516990 0.069640
C 1.747741 0.132659 -0.139128
C 2.382687 0.918056 1.028091
C 2.644398 0.215790 -1.382624
C 3.817300 0.410232 1.291010
C 4.072219 -0.264055 -1.050985
C -0.675488 0.432457 0.391766
C 6.061255 0.177076 0.321621
C -1.864782 1.271707 -0.090628
C -0.983612 -1.062903 0.497013
C -3.153864 1.043989 0.454931
C -0.869426 -1.740058 1.734239
C -1.690281 2.312827 -1.034046
C -1.368164 -1.793822 -0.656250
C -4.249504 1.845992 0.067669
C -1.141925 -3.125626 1.826795
C -2.789407 3.111109 -1.426546
C -1.635256 -3.176019 -0.569584
C -4.071411 2.884585 -0.876218
C -1.525044 -3.846512 0.673697
H 1.620561 -0.932735 0.155640
H 1.786339 0.811670 1.954702
H 2.415871 1.989824 0.758348
H 2.679370 1.265817 -1.726752
H 2.213931 -0.398346 -2.194605
H 4.287135 1.015154 2.088927
H 3.772118 -0.649954 1.662828
H 4.048276 -1.361847 -0.810985
H 4.723718 -0.138500 -1.935664
H -0.388739 0.796967 1.404372
H 6.467091 0.832032 1.113617
H 6.653583 0.344146 -0.595980
H 6.213627 -0.886095 0.641188
H -3.302171 0.230825 1.175519
H -0.568042 -1.181476 2.630209
H -0.695119 2.478798 -1.454303
H -1.451547 -1.268376 -1.614304
H -5.240168 1.658218 0.497364
H -1.053249 -3.638735 2.791082
H -2.643067 3.911583 -2.161106
H -1.932523 -3.732817 -1.465593
H -4.921545 3.506080 -1.179987
H -1.736237 -4.919827 0.740522


